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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[3-(cyclopropylcarbonylamino)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(cyclopropanecarbonylamino)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[3-[[cyclopropyl(oxo)methyl]amino]phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(cyclopropanecarbonylamino)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(cyclopropanecarbonylamino)phenyl]benzamide Formula: C23H26ClN3O4S MolecularWeight: 475.98824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=CC=C3)NC(=O)C4CC4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=CC=C3)NC(=O)C4CC4)Cl

InChI

InChI=1S/C23H26ClN3O4S/c24-20-11-10-17(14-21(20)32(30,31)27-12-3-1-2-4-13-27)23(29)26-19-7-5-6-18(15-19)25-22(28)16-8-9-16/h5-7,10-11,14-16H,1-4,8-9,12-13H2,(H,25,28)(H,26,29)