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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CCCCCN2C3=CC=CC=C3SC(C2=O)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CN(CCC1C(=O)O)CCCCCN2C3=CC=CC=C3SC(C2=O)C4=CC=CC(=C4)C(=N)N

InChI

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