2-[(4-carbamimidoylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)carbonyl-amino]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)carbonyl-amino]ethanoic acid Openeye Name: 2-(4-carbamimidoyl-N-[4-(2-naphthylsulfonyl)piperazine-1-carbonyl]anilino)acetic acid CAS Name: 2-(4-carbamimidoyl-N-[[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-oxomethyl]anilino)acetic acid IUPAC Name: 2-(4-carbamimidoyl-N-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)anilino)acetic acid Traditional Name: 2-(4-amidino-N-[4-(2-naphthylsulfonyl)piperazine-1-carbonyl]anilino)acetic acid Formula: C24H25N5O5S MolecularWeight: 495.5508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)N(CC(=O)O)C2=CC=C(C=C2)C(=N)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C(=O)N(CC(=O)O)C2=CC=C(C=C2)C(=N)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H25N5O5S/c25-23(26)18-5-8-20(9-6-18)29(16-22(30)31)24(32)27-11-13-28(14-12-27)35(33,34)21-10-7-17-3-1-2-4-19(17)15-21/h1-10,15H,11-14,16H2,(H3,25,26)(H,30,31)