N,N-diethyl-4-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[[4-(morpholinomethyl)phenyl]methylamino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[[4-(4-morpholinylmethyl)phenyl]methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[[4-(morpholinomethyl)benzyl]amino]-3-nitro-benzenesulfonamide Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)CN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)CN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H30N4O5S/c1-3-25(4-2)32(29,30)20-9-10-21(22(15-20)26(27)28)23-16-18-5-7-19(8-6-18)17-24-11-13-31-14-12-24/h5-10,15,23H,3-4,11-14,16-17H2,1-2H3