1-(3-cyanophenyl)sulfonyl-N-(2-dimethylaminoethyl)-4-(phenylmethyl)piperazine-2-carboxamide

Systemtic Name: 1-(3-cyanophenyl)sulfonyl-N-(2-dimethylaminoethyl)-4-(phenylmethyl)piperazine-2-carboxamide Openeye Name: 4-benzyl-1-(3-cyanophenyl)sulfonyl-N-(2-dimethylaminoethyl)piperazine-2-carboxamide CAS Name: 1-(3-cyanophenyl)sulfonyl-N-(2-dimethylaminoethyl)-4-(phenylmethyl)-2-piperazinecarboxamide IUPAC Name: 4-benzyl-1-(3-cyanophenyl)sulfonyl-N-(2-dimethylaminoethyl)piperazine-2-carboxamide Traditional Name: 4-benzyl-1-(3-cyanophenyl)sulfonyl-N-(2-dimethylaminoethyl)piperazine-2-carboxamide Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1CN(CCN1S(=O)(=O)C2=CC=CC(=C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

CN(C)CCNC(=O)C1CN(CCN1S(=O)(=O)C2=CC=CC(=C2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N5O3S/c1-26(2)12-11-25-23(29)22-18-27(17-19-7-4-3-5-8-19)13-14-28(22)32(30,31)21-10-6-9-20(15-21)16-24/h3-10,15,22H,11-14,17-18H2,1-2H3,(H,25,29)