N-[3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-3-oxidanylidene-propyl]-2-methyl-cyclopropane-1-carboxamide

Systemtic Name: N-[3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-3-oxidanylidene-propyl]-2-methyl-cyclopropane-1-carboxamide Openeye Name: N-[3-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-3-oxo-propyl]-2-methyl-cyclopropanecarboxamide CAS Name: N-[3-[3-(1-azepanylsulfonyl)-4-methylanilino]-3-oxopropyl]-2-methyl-1-cyclopropanecarboxamide IUPAC Name: N-[3-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide Traditional Name: N-[3-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-3-keto-propyl]-2-methyl-cyclopropanecarboxamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)NCCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1CC1C(=O)NCCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H31N3O4S/c1-15-7-8-17(23-20(25)9-10-22-21(26)18-13-16(18)2)14-19(15)29(27,28)24-11-5-3-4-6-12-24/h7-8,14,16,18H,3-6,9-13H2,1-2H3,(H,22,26)(H,23,25)