(1-methylindol-3-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (1-methylindol-3-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (1-methylindol-3-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (1-methyl-3-indolyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (1-methylindol-3-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: [4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-(1-methylindol-3-yl)methanone Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C23H27N3O3S/c1-24-17-21(20-6-3-4-7-22(20)24)23(27)26-13-5-12-25(14-15-26)16-18-8-10-19(11-9-18)30(2,28)29/h3-4,6-11,17H,5,12-16H2,1-2H3