ethyl 1-[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl]piperidine-3-carboxylate Traditional Name: 1-[2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-keto-ethyl]nipecotic acid ethyl ester Formula: C23H35N3O6S MolecularWeight: 481.6055

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C23H35N3O6S/c1-3-32-23(28)18-9-8-12-25(16-18)17-22(27)24-20-15-19(10-11-21(20)31-2)33(29,30)26-13-6-4-5-7-14-26/h10-11,15,18H,3-9,12-14,16-17H2,1-2H3,(H,24,27)