[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [3-(1-azepanylsulfonyl)-4-methylphenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-methylphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-pyrrolidino-methanone Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H26N2O3S/c1-15-8-9-16(18(21)19-10-6-7-11-19)14-17(15)24(22,23)20-12-4-2-3-5-13-20/h8-9,14H,2-7,10-13H2,1H3