N-[3-(1H-benzimidazol-2-yl)propyl]-4-(phenylmethyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[3-(1H-benzimidazol-2-yl)propyl]-4-(phenylmethyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[3-(1H-benzimidazol-2-yl)propyl]-4-benzylsulfonyl-piperazine-1-carboxamide CAS Name: N-[3-(1H-benzimidazol-2-yl)propyl]-4-(phenylmethyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[3-(1H-benzimidazol-2-yl)propyl]-4-benzylsulfonylpiperazine-1-carboxamide Traditional Name: N-[3-(1H-benzimidazol-2-yl)propyl]-4-benzylsulfonyl-piperazine-1-carboxamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCCCC2=NC3=CC=CC=C3N2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)NCCCC2=NC3=CC=CC=C3N2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O3S/c28-22(23-12-6-11-21-24-19-9-4-5-10-20(19)25-21)26-13-15-27(16-14-26)31(29,30)17-18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,23,28)(H,24,25)