1-[5-[2-(3-carbamimidoylphenyl)-3-oxidanylidene-1,4-benzothiazin-4-yl]pentyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[5-[2-(3-carbamimidoylphenyl)-3-oxidanylidene-1,4-benzothiazin-4-yl]pentyl]piperidine-3-carboxylic acid Openeye Name: 1-[5-[2-(3-carbamimidoylphenyl)-3-oxo-1,4-benzothiazin-4-yl]pentyl]piperidine-3-carboxylic acid CAS Name: 1-[5-[2-(3-carbamimidoylphenyl)-3-oxo-1,4-benzothiazin-4-yl]pentyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[5-[2-(3-carbamimidoylphenyl)-3-oxo-1,4-benzothiazin-4-yl]pentyl]piperidine-3-carboxylic acid Traditional Name: 1-[5-[2-(3-amidinophenyl)-3-keto-1,4-benzothiazin-4-yl]pentyl]nipecotic acid Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCCCCN2C3=CC=CC=C3SC(C2=O)C4=CC=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CCCCCN2C3=CC=CC=C3SC(C2=O)C4=CC=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C26H32N4O3S/c27-24(28)19-9-6-8-18(16-19)23-25(31)30(21-11-2-3-12-22(21)34-23)15-5-1-4-13-29-14-7-10-20(17-29)26(32)33/h2-3,6,8-9,11-12,16,20,23H,1,4-5,7,10,13-15,17H2,(H3,27,28)(H,32,33)