4-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-N-(cyclopropylmethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-N-(cyclopropylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-chloro-4-fluoro-phenyl)sulfonyl-N-(cyclopropylmethyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(3-chloro-4-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-chloro-4-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-chloro-4-fluoro-phenyl)sulfonyl-N-(cyclopropylmethyl)-1,4-diazepane-1-carboxamide Formula: C16H21ClFN3O3S MolecularWeight: 389.872643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl)C(=O)NCC3CC3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl)C(=O)NCC3CC3

InChI

InChI=1S/C16H21ClFN3O3S/c17-14-10-13(4-5-15(14)18)25(23,24)21-7-1-6-20(8-9-21)16(22)19-11-12-2-3-12/h4-5,10,12H,1-3,6-9,11H2,(H,19,22)