N-[1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]thiophene-2-sulfonamide

Systemtic Name: N-[1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]thiophene-2-sulfonamide Openeye Name: N-[1-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-2-methyl-propyl]thiophene-2-sulfonamide CAS Name: N-[1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]-2-thiophenesulfonamide IUPAC Name: N-[1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-sulfonamide Traditional Name: N-[1-[4-(4-fluorobenzyl)-1,4-diazepane-1-carbonyl]-2-methyl-propyl]thiophene-2-sulfonamide Formula: C21H28FN3O3S2 MolecularWeight: 453.593723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCN(CC1)CC2=CC=C(C=C2)F)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)C(C(=O)N1CCCN(CC1)CC2=CC=C(C=C2)F)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H28FN3O3S2/c1-16(2)20(23-30(27,28)19-5-3-14-29-19)21(26)25-11-4-10-24(12-13-25)15-17-6-8-18(22)9-7-17/h3,5-9,14,16,20,23H,4,10-13,15H2,1-2H3