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

Systemtic Name: (2,3-dimethyl-1H-indol-5-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(2,3-dimethyl-1H-indol-5-yl)methanone CAS Name: (2,3-dimethyl-1H-indol-5-yl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(2,3-dimethyl-1H-indol-5-yl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(2,3-dimethyl-1H-indol-5-yl)methanone Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H25N3O3S/c1-16-17(2)23-21-9-8-19(14-20(16)21)22(26)24-10-12-25(13-11-24)29(27,28)15-18-6-4-3-5-7-18/h3-9,14,23H,10-13,15H2,1-2H3