4-(azocan-1-yl)-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanamide

Systemtic Name: 4-(azocan-1-yl)-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanamide Openeye Name: 4-(azocan-1-yl)-N-[(1-carbamimidoyl-3-piperidyl)methyl]-3-(2-naphthylsulfonylamino)-4-oxo-butanamide CAS Name: 4-(1-azocanyl)-N-[(1-carbamimidoyl-3-piperidinyl)methyl]-3-(2-naphthalenylsulfonylamino)-4-oxobutanamide IUPAC Name: 4-(azocan-1-yl)-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(naphthalen-2-ylsulfonylamino)-4-oxobutanamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-4-(azocan-1-yl)-4-keto-3-(2-naphthylsulfonylamino)butyramide Formula: C28H40N6O4S MolecularWeight: 556.72

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C(CC(=O)NCC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCCN(CCC1)C(=O)C(CC(=O)NCC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H40N6O4S/c29-28(30)34-16-8-9-21(20-34)19-31-26(35)18-25(27(36)33-14-6-2-1-3-7-15-33)32-39(37,38)24-13-12-22-10-4-5-11-23(22)17-24/h4-5,10-13,17,21,25,32H,1-3,6-9,14-16,18-20H2,(H3,29,30)(H,31,35)