ethyl 4-[4-(4-phenylbutan-2-ylcarbamoyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(4-phenylbutan-2-ylcarbamoyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(1-methyl-3-phenyl-propyl)carbamoyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[oxo-(4-phenylbutan-2-ylamino)methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-phenylbutan-2-ylcarbamoyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(1-methyl-3-phenyl-propyl)carbamoyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC(C)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC(C)CCC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O5S/c1-3-32-23(28)21-11-13-22(14-12-21)33(30,31)27-17-15-26(16-18-27)24(29)25-19(2)9-10-20-7-5-4-6-8-20/h4-8,11-14,19H,3,9-10,15-18H2,1-2H3,(H,25,29)