3-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]propanamide

Systemtic Name: 3-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]propanamide Openeye Name: 3-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]propanamide CAS Name: 3-acetamido-N-[3-(1-azepanylsulfonyl)-4-methylphenyl]propanamide IUPAC Name: 3-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide Traditional Name: 3-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]propionamide Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C18H27N3O4S/c1-14-7-8-16(20-18(23)9-10-19-15(2)22)13-17(14)26(24,25)21-11-5-3-4-6-12-21/h7-8,13H,3-6,9-12H2,1-2H3,(H,19,22)(H,20,23)