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

Systemtic Name: [(2R)-2-(4-methoxyphenyl)azepan-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [(2R)-2-(4-methoxyphenyl)azepan-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: [(2R)-2-(4-methoxyphenyl)-1-azepanyl]-[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [(2R)-2-(4-methoxyphenyl)azepan-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [(2R)-2-(4-methoxyphenyl)azepan-1-yl]-(4-methoxy-3-pyrrolidinosulfonyl-phenyl)methanone Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H32N2O5S/c1-31-21-12-9-19(10-13-21)22-8-4-3-5-17-27(22)25(28)20-11-14-23(32-2)24(18-20)33(29,30)26-15-6-7-16-26/h9-14,18,22H,3-8,15-17H2,1-2H3/t22-/m1/s1