1-[2-[[[(E)-N'-naphthalen-2-ylsulfonylcarbamimidoyl]amino]-phenyl-amino]propanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[[[(E)-N'-naphthalen-2-ylsulfonylcarbamimidoyl]amino]-phenyl-amino]propanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(N-[[(E)-N'-(2-naphthylsulfonyl)carbamimidoyl]amino]anilino)propanoyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(N-[[(E)-amino(2-naphthalenylsulfonylimino)methyl]amino]anilino)-1-oxopropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(N-[[(E)-N'-naphthalen-2-ylsulfonylcarbamimidoyl]amino]anilino)propanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(N-[[(E)-N'-(2-naphthylsulfonyl)amidino]amino]anilino)propanoyl]isonipecotic acid Formula: C26H29N5O5S MolecularWeight: 523.60396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)C(=O)O)N(C2=CC=CC=C2)NC(=NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)N

Isomeric SMILES

CC(C(=O)N1CCC(CC1)C(=O)O)N(C2=CC=CC=C2)N/C(=N/S(=O)(=O)C3=CC4=CC=CC=C4C=C3)/N

InChI

InChI=1S/C26H29N5O5S/c1-18(24(32)30-15-13-20(14-16-30)25(33)34)31(22-9-3-2-4-10-22)28-26(27)29-37(35,36)23-12-11-19-7-5-6-8-21(19)17-23/h2-12,17-18,20H,13-16H2,1H3,(H,33,34)(H3,27,28,29)