[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-methoxy-3-pyrrolidinosulfonyl-phenyl)-(4-p-anisyl-1,4-diazepan-1-yl)methanone Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H33N3O5S/c1-32-22-9-6-20(7-10-22)19-26-12-5-13-27(17-16-26)25(29)21-8-11-23(33-2)24(18-21)34(30,31)28-14-3-4-15-28/h6-11,18H,3-5,12-17,19H2,1-2H3