3-azanyl-4-(1,4-diazepan-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

Systemtic Name: 3-azanyl-4-(1,4-diazepan-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide Openeye Name: 3-amino-4-(1,4-diazepan-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide CAS Name: 3-amino-4-(1,4-diazepan-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide IUPAC Name: 3-amino-4-(1,4-diazepan-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide Traditional Name: 3-amino-4-(1,4-diazepan-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide Formula: C18H21F3N4O2S MolecularWeight: 414.44515

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(F)(F)F)N

Isomeric SMILES

C1CNCCN(C1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(F)(F)F)N

InChI

InChI=1S/C18H21F3N4O2S/c19-18(20,21)13-2-4-14(5-3-13)24-28(26,27)15-6-7-17(16(22)12-15)25-10-1-8-23-9-11-25/h2-7,12,23-24H,1,8-11,22H2