tert-butyl 4-[2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[4-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-piperazinyl]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[4-(4-pyrrolidinosulfonylphenyl)piperazino]ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H42N4O4S MolecularWeight: 506.70108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCN2CCN(CC2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCN2CCN(CC2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C26H42N4O4S/c1-26(2,3)34-25(31)29-16-11-22(12-17-29)10-15-27-18-20-28(21-19-27)23-6-8-24(9-7-23)35(32,33)30-13-4-5-14-30/h6-9,22H,4-5,10-21H2,1-3H3