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

Systemtic Name: (2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)methanone CAS Name: (2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)methanone Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O3S/c1-16(2)24-17(3)14-20(18(24)4)21(25)22-10-12-23(13-11-22)28(26,27)15-19-8-6-5-7-9-19/h5-9,14,16H,10-13,15H2,1-4H3