3-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-N-cyclopropyl-benzamide

Systemtic Name: 3-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-N-cyclopropyl-benzamide Openeye Name: 3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-N-cyclopropyl-benzamide CAS Name: 3-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-N-cyclopropylbenzamide Traditional Name: 3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-N-cyclopropyl-benzamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

InChI

InChI=1S/C23H27N3O4S/c27-22(25-20-7-5-6-18(16-20)23(28)24-19-10-11-19)17-8-12-21(13-9-17)31(29,30)26-14-3-1-2-4-15-26/h5-9,12-13,16,19H,1-4,10-11,14-15H2,(H,24,28)(H,25,27)