(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methanone CAS Name: (1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methanone Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H27N3O3S/c1-16-14-20(17(2)24(16)19-8-9-19)21(25)22-10-12-23(13-11-22)28(26,27)15-18-6-4-3-5-7-18/h3-7,14,19H,8-13,15H2,1-2H3