N-[3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-3-oxidanylidene-propyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-3-oxidanylidene-propyl]-2,2-dimethyl-propanamide Openeye Name: N-[3-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-3-oxo-propyl]-2,2-dimethyl-propanamide CAS Name: N-[3-[3-(1-azepanylsulfonyl)-4-methylanilino]-3-oxopropyl]-2,2-dimethylpropanamide IUPAC Name: N-[3-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-3-oxopropyl]-2,2-dimethylpropanamide Traditional Name: N-[3-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-3-keto-propyl]-2,2-dimethyl-propionamide Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O4S/c1-16-9-10-17(23-19(25)11-12-22-20(26)21(2,3)4)15-18(16)29(27,28)24-13-7-5-6-8-14-24/h9-10,15H,5-8,11-14H2,1-4H3,(H,22,26)(H,23,25)