3-methyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonyl-1,5,6,7-tetrahydroindol-4-one

Systemtic Name: 3-methyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonyl-1,5,6,7-tetrahydroindol-4-one Openeye Name: 2-(4-benzylsulfonylpiperazine-1-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one CAS Name: 3-methyl-2-[oxo-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]-1,5,6,7-tetrahydroindol-4-one IUPAC Name: 2-(4-benzylsulfonylpiperazine-1-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one Traditional Name: 2-(4-benzylsulfonylpiperazine-1-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=O)CCC2)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(NC2=C1C(=O)CCC2)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O4S/c1-15-19-17(8-5-9-18(19)25)22-20(15)21(26)23-10-12-24(13-11-23)29(27,28)14-16-6-3-2-4-7-16/h2-4,6-7,22H,5,8-14H2,1H3