3-(4-carbamimidoylphenyl)-N-[2-[(1-carbamimidoylpiperidin-4-yl)methylamino]-1-cyclohexyl-2-oxidanylidene-ethyl]-2-(3-methylsulfonylphenyl)propanamide

Systemtic Name: 3-(4-carbamimidoylphenyl)-N-[2-[(1-carbamimidoylpiperidin-4-yl)methylamino]-1-cyclohexyl-2-oxidanylidene-ethyl]-2-(3-methylsulfonylphenyl)propanamide Openeye Name: 3-(4-carbamimidoylphenyl)-N-[2-[(1-carbamimidoyl-4-piperidyl)methylamino]-1-cyclohexyl-2-oxo-ethyl]-2-(3-methylsulfonylphenyl)propanamide CAS Name: 3-(4-carbamimidoylphenyl)-N-[2-[(1-carbamimidoyl-4-piperidinyl)methylamino]-1-cyclohexyl-2-oxoethyl]-2-(3-methylsulfonylphenyl)propanamide IUPAC Name: 3-(4-carbamimidoylphenyl)-N-[2-[(1-carbamimidoylpiperidin-4-yl)methylamino]-1-cyclohexyl-2-oxoethyl]-2-(3-methylsulfonylphenyl)propanamide Traditional Name: 3-(4-amidinophenyl)-N-[2-[(1-amidino-4-piperidyl)methylamino]-1-cyclohexyl-2-keto-ethyl]-2-(3-mesylphenyl)propionamide Formula: C32H45N7O4S MolecularWeight: 623.8092

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(CC2=CC=C(C=C2)C(=N)N)C(=O)NC(C3CCCCC3)C(=O)NCC4CCN(CC4)C(=N)N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(CC2=CC=C(C=C2)C(=N)N)C(=O)NC(C3CCCCC3)C(=O)NCC4CCN(CC4)C(=N)N

InChI

InChI=1S/C32H45N7O4S/c1-44(42,43)26-9-5-8-25(19-26)27(18-21-10-12-24(13-11-21)29(33)34)30(40)38-28(23-6-3-2-4-7-23)31(41)37-20-22-14-16-39(17-15-22)32(35)36/h5,8-13,19,22-23,27-28H,2-4,6-7,14-18,20H2,1H3,(H3,33,34)(H3,35,36)(H,37,41)(H,38,40)