4-chloranyl-N-[(1R)-1-cyclopropylethyl]-3-nitro-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(1R)-1-cyclopropylethyl]-3-nitro-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-4-chloro-N-[(1R)-1-cyclopropylethyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[(1R)-1-cyclopropylethyl]-3-nitro-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-4-chloro-N-[(1R)-1-cyclopropylethyl]-3-nitrobenzenesulfonamide Traditional Name: N-benzyl-4-chloro-N-[(1R)-1-cyclopropylethyl]-3-nitro-benzenesulfonamide Formula: C18H19ClN2O4S MolecularWeight: 394.87246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1CC1)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN2O4S/c1-13(15-7-8-15)20(12-14-5-3-2-4-6-14)26(24,25)16-9-10-17(19)18(11-16)21(22)23/h2-6,9-11,13,15H,7-8,12H2,1H3/t13-/m1/s1