ethyl 4-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(azepan-1-ylsulfonyl)piperidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[1-(1-azepanylsulfonyl)-3-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(azepan-1-ylsulfonyl)piperidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[1-(azepan-1-ylsulfonyl)nipecotoyl]amino]benzoic acid ethyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H31N3O5S/c1-2-29-21(26)17-9-11-19(12-10-17)22-20(25)18-8-7-15-24(16-18)30(27,28)23-13-5-3-4-6-14-23/h9-12,18H,2-8,13-16H2,1H3,(H,22,25)