N-cyclopropyl-2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]thiophene-3-sulfonamide

Systemtic Name: N-cyclopropyl-2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]thiophene-3-sulfonamide Openeye Name: N-cyclopropyl-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]thiophene-3-sulfonamide CAS Name: N-cyclopropyl-2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-3-thiophenesulfonamide IUPAC Name: N-cyclopropyl-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]thiophene-3-sulfonamide Traditional Name: N-cyclopropyl-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]thiophene-3-sulfonamide Formula: C19H22FN3O5S3 MolecularWeight: 487.588483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=C(C=CS3)S(=O)(=O)NC4CC4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=C(C=CS3)S(=O)(=O)NC4CC4

InChI

InChI=1S/C19H22FN3O5S3/c20-14-2-6-16(7-3-14)31(27,28)23-10-1-9-22(11-12-23)19(24)18-17(8-13-29-18)30(25,26)21-15-4-5-15/h2-3,6-8,13,15,21H,1,4-5,9-12H2