3-chloranyl-4-methyl-5-nitro-N-[[4-(phenylmethyl)morpholin-2-yl]methyl]benzenesulfonamide

Systemtic Name: 3-chloranyl-4-methyl-5-nitro-N-[[4-(phenylmethyl)morpholin-2-yl]methyl]benzenesulfonamide Openeye Name: N-[(4-benzylmorpholin-2-yl)methyl]-3-chloro-4-methyl-5-nitro-benzenesulfonamide CAS Name: 3-chloro-4-methyl-5-nitro-N-[[4-(phenylmethyl)-2-morpholinyl]methyl]benzenesulfonamide IUPAC Name: N-[(4-benzylmorpholin-2-yl)methyl]-3-chloro-4-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[(4-benzylmorpholin-2-yl)methyl]-3-chloro-4-methyl-5-nitro-benzenesulfonamide Formula: C19H22ClN3O5S MolecularWeight: 439.91308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCC2CN(CCO2)CC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCC2CN(CCO2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C19H22ClN3O5S/c1-14-18(20)9-17(10-19(14)23(24)25)29(26,27)21-11-16-13-22(7-8-28-16)12-15-5-3-2-4-6-15/h2-6,9-10,16,21H,7-8,11-13H2,1H3