ethyl 4-[4-(azepan-1-yl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(azepan-1-yl)piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-(azepan-1-yl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-(1-azepanyl)-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(azepan-1-yl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(azepan-1-yl)piperidino]sulfonylbenzoic acid ethyl ester Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCCCCC3

InChI

InChI=1S/C20H30N2O4S/c1-2-26-20(23)17-7-9-19(10-8-17)27(24,25)22-15-11-18(12-16-22)21-13-5-3-4-6-14-21/h7-10,18H,2-6,11-16H2,1H3