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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[C@@H](C)NC(=O)C2=CC=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H31N3O4S/c1-18-12-13-21(17-22(18)32(30,31)27-14-8-3-4-9-15-27)26-23(28)16-19(2)25-24(29)20-10-6-5-7-11-20/h5-7,10-13,17,19H,3-4,8-9,14-16H2,1-2H3,(H,25,29)(H,26,28)/t19-/m1/s1