1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one

Systemtic Name: 1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one Openeye Name: 1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one CAS Name: 1-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one Traditional Name: 1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-(4-pyrrolidinosulfonylphenyl)propan-1-one Formula: C24H33N3O3S MolecularWeight: 443.60212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C24H33N3O3S/c1-25-16-7-9-22(25)23-8-3-2-4-19-27(23)24(28)15-12-20-10-13-21(14-11-20)31(29,30)26-17-5-6-18-26/h7,9-11,13-14,16,23H,2-6,8,12,15,17-19H2,1H3