(3R)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

Systemtic Name: (3R)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3,4-dihydro-2H-chromene-3-carboxamide Openeye Name: (3R)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]chromane-3-carboxamide CAS Name: (3R)-N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide IUPAC Name: (3R)-N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide Traditional Name: (3R)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]chroman-3-carboxamide Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3CC4=CC=CC=C4OC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)[C@@H]3CC4=CC=CC=C4OC3

InChI

InChI=1S/C23H28N2O5S/c1-29-22-11-10-19(31(27,28)25-12-6-2-3-7-13-25)15-20(22)24-23(26)18-14-17-8-4-5-9-21(17)30-16-18/h4-5,8-11,15,18H,2-3,6-7,12-14,16H2,1H3,(H,24,26)/t18-/m1/s1