ethyl 4-[4-[[cyclopropyl(phenyl)methyl]carbamoyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[[cyclopropyl(phenyl)methyl]carbamoyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[[cyclopropyl(phenyl)methyl]carbamoyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[[[cyclopropyl(phenyl)methyl]amino]-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[[cyclopropyl(phenyl)methyl]carbamoyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[[cyclopropyl(phenyl)methyl]carbamoyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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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(C3CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC(C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H29N3O5S/c1-2-32-23(28)20-10-12-21(13-11-20)33(30,31)27-16-14-26(15-17-27)24(29)25-22(19-8-9-19)18-6-4-3-5-7-18/h3-7,10-13,19,22H,2,8-9,14-17H2,1H3,(H,25,29)