ethyl 2-[4-(3-cyanophenyl)sulfonyl-3-[(phenylmethyl)carbamoyl]piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(3-cyanophenyl)sulfonyl-3-[(phenylmethyl)carbamoyl]piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-(benzylcarbamoyl)-4-(3-cyanophenyl)sulfonyl-piperazin-1-yl]acetate CAS Name: 2-[4-(3-cyanophenyl)sulfonyl-3-[oxo-[(phenylmethyl)amino]methyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(benzylcarbamoyl)-4-(3-cyanophenyl)sulfonylpiperazin-1-yl]acetate Traditional Name: 2-[3-(benzylcarbamoyl)-4-(3-cyanophenyl)sulfonyl-piperazino]acetic acid ethyl ester Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(C(C1)C(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CCOC(=O)CN1CCN(C(C1)C(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C23H26N4O5S/c1-2-32-22(28)17-26-11-12-27(33(30,31)20-10-6-9-19(13-20)14-24)21(16-26)23(29)25-15-18-7-4-3-5-8-18/h3-10,13,21H,2,11-12,15-17H2,1H3,(H,25,29)