N-(4-morpholin-4-ylsulfonylphenyl)-3,5-dinitro-4-[(phenylmethyl)amino]benzamide

Systemtic Name: N-(4-morpholin-4-ylsulfonylphenyl)-3,5-dinitro-4-[(phenylmethyl)amino]benzamide Openeye Name: 4-(benzylamino)-N-(4-morpholinosulfonylphenyl)-3,5-dinitro-benzamide CAS Name: N-[4-(4-morpholinylsulfonyl)phenyl]-3,5-dinitro-4-[(phenylmethyl)amino]benzamide IUPAC Name: 4-(benzylamino)-N-(4-morpholin-4-ylsulfonylphenyl)-3,5-dinitrobenzamide Traditional Name: 4-(benzylamino)-N-(4-morpholinosulfonylphenyl)-3,5-dinitro-benzamide Formula: C24H23N5O8S MolecularWeight: 541.53312

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H23N5O8S/c30-24(26-19-6-8-20(9-7-19)38(35,36)27-10-12-37-13-11-27)18-14-21(28(31)32)23(22(15-18)29(33)34)25-16-17-4-2-1-3-5-17/h1-9,14-15,25H,10-13,16H2,(H,26,30)