(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone

Systemtic Name: (4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Openeye Name: (4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone CAS Name: [4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]methanone IUPAC Name: (4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Traditional Name: (4-methoxy-3-pyrrolidinosulfonyl-phenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O4S/c1-24-13-8-10-19(24)20-9-4-3-5-16-26(20)23(27)18-11-12-21(30-2)22(17-18)31(28,29)25-14-6-7-15-25/h8,10-13,17,20H,3-7,9,14-16H2,1-2H3