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

Systemtic Name: N-[3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-3-oxidanylidene-propyl]-2-methyl-benzamide Openeye Name: N-[3-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-3-oxo-propyl]-2-methyl-benzamide CAS Name: N-[3-[3-(1-azepanylsulfonyl)-4-methylanilino]-3-oxopropyl]-2-methylbenzamide IUPAC Name: N-[3-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-3-oxopropyl]-2-methylbenzamide Traditional Name: N-[3-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-3-keto-propyl]-2-methyl-benzamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2=CC=CC=C2C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2=CC=CC=C2C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H31N3O4S/c1-18-9-5-6-10-21(18)24(29)25-14-13-23(28)26-20-12-11-19(2)22(17-20)32(30,31)27-15-7-3-4-8-16-27/h5-6,9-12,17H,3-4,7-8,13-16H2,1-2H3,(H,25,29)(H,26,28)