3-[(2S)-3-[4-(4-carbamimidoylphenyl)carbonylpiperazin-1-yl]-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-propyl]benzenecarboximidamide

Systemtic Name: 3-[(2S)-3-[4-(4-carbamimidoylphenyl)carbonylpiperazin-1-yl]-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[(2S)-3-[4-(4-carbamimidoylbenzoyl)piperazin-1-yl]-2-(2-naphthylsulfonylamino)-3-oxo-propyl]benzamidine CAS Name: 3-[(2S)-3-[4-[(4-carbamimidoylphenyl)-oxomethyl]-1-piperazinyl]-2-(2-naphthalenylsulfonylamino)-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[(2S)-3-[4-(4-carbamimidoylbenzoyl)piperazin-1-yl]-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[(2S)-3-[4-(4-amidinobenzoyl)piperazino]-3-keto-2-(2-naphthylsulfonylamino)propyl]benzamidine Formula: C32H33N7O4S MolecularWeight: 611.71392

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)C(=N)N)C(=O)C(CC3=CC=CC(=C3)C(=N)N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)C(=N)N)C(=O)[C@H](CC3=CC=CC(=C3)C(=N)N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C32H33N7O4S/c33-29(34)23-8-10-24(11-9-23)31(40)38-14-16-39(17-15-38)32(41)28(19-21-4-3-7-26(18-21)30(35)36)37-44(42,43)27-13-12-22-5-1-2-6-25(22)20-27/h1-13,18,20,28,37H,14-17,19H2,(H3,33,34)(H3,35,36)/t28-/m0/s1