N-[(2S)-butan-2-yl]-4-[[(2-chlorophenyl)carbonylamino]carbamoyl]benzenesulfonamide

Systemtic Name: N-[(2S)-butan-2-yl]-4-[[(2-chlorophenyl)carbonylamino]carbamoyl]benzenesulfonamide Openeye Name: 4-[[(2-chlorobenzoyl)amino]carbamoyl]-N-[(1S)-1-methylpropyl]benzenesulfonamide CAS Name: N-[(2S)-butan-2-yl]-4-[[[(2-chlorophenyl)-oxomethyl]hydrazo]-oxomethyl]benzenesulfonamide IUPAC Name: N-[(2S)-butan-2-yl]-4-[[(2-chlorobenzoyl)amino]carbamoyl]benzenesulfonamide Traditional Name: 4-[[(2-chlorobenzoyl)amino]carbamoyl]-N-[(1S)-1-methylpropyl]benzenesulfonamide Formula: C18H20ClN3O4S MolecularWeight: 409.8871

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CC[C@H](C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C18H20ClN3O4S/c1-3-12(2)22-27(25,26)14-10-8-13(9-11-14)17(23)20-21-18(24)15-6-4-5-7-16(15)19/h4-12,22H,3H2,1-2H3,(H,20,23)(H,21,24)/t12-/m0/s1