N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(phenylmethyl)-propan-2-yl-amino]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(phenylmethyl)-propan-2-yl-amino]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[benzyl(isopropyl)amino]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[(phenylmethyl)-propan-2-ylamino]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-[benzyl(propan-2-yl)amino]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[benzyl(isopropyl)amino]acetamide Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C25H35N3O4S/c1-20(2)27(18-21-11-7-6-8-12-21)19-25(29)26-23-17-22(13-14-24(23)32-3)33(30,31)28-15-9-4-5-10-16-28/h6-8,11-14,17,20H,4-5,9-10,15-16,18-19H2,1-3H3,(H,26,29)