4-(2-aminophenyl)-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-[(4-iodophenyl)sulfonylamino]-4-oxidanylidene-butanamide

Systemtic Name: 4-(2-aminophenyl)-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-[(4-iodophenyl)sulfonylamino]-4-oxidanylidene-butanamide Openeye Name: 4-(2-aminophenyl)-N-[(1-carbamimidoyl-3-piperidyl)methyl]-2-[(4-iodophenyl)sulfonylamino]-4-oxo-butanamide CAS Name: 4-(2-aminophenyl)-N-[(1-carbamimidoyl-3-piperidinyl)methyl]-2-[(4-iodophenyl)sulfonylamino]-4-oxobutanamide IUPAC Name: 4-(2-aminophenyl)-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-[(4-iodophenyl)sulfonylamino]-4-oxobutanamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-4-(2-aminophenyl)-2-[(4-iodophenyl)sulfonylamino]-4-keto-butyramide Formula: C23H29IN6O4S MolecularWeight: 612.48363

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC(=O)C2=CC=CC=C2N)NS(=O)(=O)C3=CC=C(C=C3)I

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC(=O)C2=CC=CC=C2N)NS(=O)(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C23H29IN6O4S/c24-16-7-9-17(10-8-16)35(33,34)29-20(12-21(31)18-5-1-2-6-19(18)25)22(32)28-13-15-4-3-11-30(14-15)23(26)27/h1-2,5-10,15,20,29H,3-4,11-14,25H2,(H3,26,27)(H,28,32)