N-[4-[[[(4S)-4-(2-methylbutan-2-yl)cyclohexen-1-yl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide

Systemtic Name: N-[4-[[[(4S)-4-(2-methylbutan-2-yl)cyclohexen-1-yl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide Openeye Name: N-[4-[[[(4S)-4-(1,1-dimethylpropyl)cyclohexen-1-yl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide CAS Name: N-[4-[[[(4S)-4-(2-methylbutan-2-yl)-1-cyclohexenyl]hydrazo]-oxomethyl]phenyl]-2-thiophenesulfonamide IUPAC Name: N-[4-[[[(4S)-4-(2-methylbutan-2-yl)cyclohexen-1-yl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide Traditional Name: N-[4-[[[(4S)-4-tert-amylcyclohexen-1-yl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(=CC1)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCC(C)(C)[C@H]1CCC(=CC1)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C22H29N3O3S2/c1-4-22(2,3)17-9-13-18(14-10-17)23-24-21(26)16-7-11-19(12-8-16)25-30(27,28)20-6-5-15-29-20/h5-8,11-13,15,17,23,25H,4,9-10,14H2,1-3H3,(H,24,26)/t17-/m1/s1