N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-phenoxy-propanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-phenoxy-propanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-phenoxy-propanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-phenoxypropanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-phenoxypropanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-phenoxy-propionamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCOC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O5S/c1-28-21-12-11-19(30(26,27)24-14-7-2-3-8-15-24)17-20(21)23-22(25)13-16-29-18-9-5-4-6-10-18/h4-6,9-12,17H,2-3,7-8,13-16H2,1H3,(H,23,25)