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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-4-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-[2-[[(1S)-1-methylpropyl]carbamoyl]phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-[[[(2S)-butan-2-yl]amino]-oxomethyl]phenyl]-4-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-4-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-[2-[[(1S)-1-methylpropyl]carbamoyl]phenyl]benzamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H33N3O4S/c1-4-19(3)26-25(30)21-11-7-8-12-22(21)27-24(29)20-14-13-18(2)23(17-20)33(31,32)28-15-9-5-6-10-16-28/h7-8,11-14,17,19H,4-6,9-10,15-16H2,1-3H3,(H,26,30)(H,27,29)/t19-/m0/s1