4-[1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidin-4-yl]piperidine-1-carboximidamide

Systemtic Name: 4-[1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidin-4-yl]piperidine-1-carboximidamide Openeye Name: 4-[1-[(2S)-3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)propanoyl]-4-piperidyl]piperidine-1-carboxamidine CAS Name: 4-[1-[(2S)-3-(3-carbamimidoylphenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-4-piperidinyl]-1-piperidinecarboximidamide IUPAC Name: 4-[1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidin-4-yl]piperidine-1-carboximidamide Traditional Name: 4-[1-[(2S)-3-(3-amidinophenyl)-2-(2-naphthylsulfonylamino)propanoyl]-4-piperidyl]piperidine-1-carboxamidine Formula: C31H39N7O3S MolecularWeight: 589.75146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2CCN(CC2)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(CCC1C2CCN(CC2)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/C31H39N7O3S/c32-29(33)26-7-3-4-21(18-26)19-28(36-42(40,41)27-9-8-22-5-1-2-6-25(22)20-27)30(39)37-14-10-23(11-15-37)24-12-16-38(17-13-24)31(34)35/h1-9,18,20,23-24,28,36H,10-17,19H2,(H3,32,33)(H3,34,35)/t28-/m0/s1