[5-(azepan-1-ylsulfonyl)-3-methyl-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [5-(azepan-1-ylsulfonyl)-3-methyl-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-3-methyl-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [5-(1-azepanylsulfonyl)-3-methyl-1H-indol-2-yl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-3-methyl-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-3-methyl-1H-indol-2-yl]-(4-methylpiperazino)methanone Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)N4CCN(CC4)C

InChI

InChI=1S/C21H30N4O3S/c1-16-18-15-17(29(27,28)25-9-5-3-4-6-10-25)7-8-19(18)22-20(16)21(26)24-13-11-23(2)12-14-24/h7-8,15,22H,3-6,9-14H2,1-2H3