N-[(S)-cyclopropyl(phenyl)methyl]-4-methoxy-3-nitro-benzenesulfonamide

Systemtic Name: N-[(S)-cyclopropyl(phenyl)methyl]-4-methoxy-3-nitro-benzenesulfonamide Openeye Name: N-[(S)-cyclopropyl(phenyl)methyl]-4-methoxy-3-nitro-benzenesulfonamide CAS Name: N-[(S)-cyclopropyl(phenyl)methyl]-4-methoxy-3-nitrobenzenesulfonamide IUPAC Name: N-[(S)-cyclopropyl(phenyl)methyl]-4-methoxy-3-nitrobenzenesulfonamide Traditional Name: N-[(S)-cyclopropyl(phenyl)methyl]-4-methoxy-3-nitro-benzenesulfonamide Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC(C2CC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N[C@@H](C2CC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O5S/c1-24-16-10-9-14(11-15(16)19(20)21)25(22,23)18-17(13-7-8-13)12-5-3-2-4-6-12/h2-6,9-11,13,17-18H,7-8H2,1H3/t17-/m1/s1