tert-butyl 3-(4-piperazin-1-ylphenyl)-2-(1-sulfamoylethyl)pentanoate

Systemtic Name: tert-butyl 3-(4-piperazin-1-ylphenyl)-2-(1-sulfamoylethyl)pentanoate Openeye Name: tert-butyl 3-(4-piperazin-1-ylphenyl)-2-(1-sulfamoylethyl)pentanoate CAS Name: 3-[4-(1-piperazinyl)phenyl]-2-(1-sulfamoylethyl)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-piperazin-1-ylphenyl)-2-(1-sulfamoylethyl)pentanoate Traditional Name: 3-(4-piperazinophenyl)-2-(1-sulfamoylethyl)valeric acid tert-butyl ester Formula: C21H35N3O4S MolecularWeight: 425.5853

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)N2CCNCC2)C(C(C)S(=O)(=O)N)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(C1=CC=C(C=C1)N2CCNCC2)C(C(C)S(=O)(=O)N)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H35N3O4S/c1-6-18(16-7-9-17(10-8-16)24-13-11-23-12-14-24)19(15(2)29(22,26)27)20(25)28-21(3,4)5/h7-10,15,18-19,23H,6,11-14H2,1-5H3,(H2,22,26,27)