[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4,6-dimethyl-1H-indol-2-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4,6-dimethyl-1H-indol-2-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4,6-dimethyl-1H-indol-2-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(4,6-dimethyl-1H-indol-2-yl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4,6-dimethyl-1H-indol-2-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(4,6-dimethyl-1H-indol-2-yl)methanone Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NC2=C1)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=CC(=C2C=C(NC2=C1)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4)C

InChI

InChI=1S/C21H30N4O3S/c1-16-13-17(2)18-15-20(22-19(18)14-16)21(26)23-9-11-25(12-10-23)29(27,28)24-7-5-3-4-6-8-24/h13-15,22H,3-12H2,1-2H3