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

Systemtic Name: N-[1-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[1-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]-2-methyl-propyl]benzamide CAS Name: N-[1-[3-(1-azepanylsulfonyl)-4-methylanilino]-3-methyl-1-oxobutan-2-yl]benzamide IUPAC Name: N-[1-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-3-methyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[1-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]-2-methyl-propyl]benzamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O4S/c1-18(2)23(27-24(29)20-11-7-6-8-12-20)25(30)26-21-14-13-19(3)22(17-21)33(31,32)28-15-9-4-5-10-16-28/h6-8,11-14,17-18,23H,4-5,9-10,15-16H2,1-3H3,(H,26,30)(H,27,29)