2-(4-carbamimidoylphenyl)-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(4-carbamimidoylphenyl)-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-oxidanylidene-butanoic acid Openeye Name: 2-(4-carbamimidoylphenyl)-4-[4-(2-naphthylsulfonyl)piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 2-(4-carbamimidoylphenyl)-4-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 2-(4-carbamimidoylphenyl)-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-oxobutanoic acid Traditional Name: 2-(4-amidinophenyl)-4-keto-4-[4-(2-naphthylsulfonyl)piperazino]butyric acid Formula: C25H26N4O5S MolecularWeight: 494.56274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O5S/c26-24(27)19-7-5-18(6-8-19)22(25(31)32)16-23(30)28-11-13-29(14-12-28)35(33,34)21-10-9-17-3-1-2-4-20(17)15-21/h1-10,15,22H,11-14,16H2,(H3,26,27)(H,31,32)