N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(cyclopropylcarbonylamino)benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(cyclopropylcarbonylamino)benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(cyclopropanecarbonylamino)benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-[[cyclopropyl(oxo)methyl]amino]benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(cyclopropanecarbonylamino)benzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(cyclopropanecarbonylamino)benzamide Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H29N3O4S/c1-17-6-11-21(16-22(17)32(30,31)27-14-4-2-3-5-15-27)26-24(29)19-9-12-20(13-10-19)25-23(28)18-7-8-18/h6,9-13,16,18H,2-5,7-8,14-15H2,1H3,(H,25,28)(H,26,29)