2-acetamido-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-butanamide

Systemtic Name: 2-acetamido-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-butanamide Openeye Name: 2-acetamido-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-butanamide CAS Name: 2-acetamido-N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-methylbutanamide IUPAC Name: 2-acetamido-N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-methylbutanamide Traditional Name: 2-acetamido-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-butyramide Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC)NC(=O)C

InChI

InChI=1S/C20H31N3O5S/c1-14(2)19(21-15(3)24)20(25)22-17-13-16(9-10-18(17)28-4)29(26,27)23-11-7-5-6-8-12-23/h9-10,13-14,19H,5-8,11-12H2,1-4H3,(H,21,24)(H,22,25)