N-(4-morpholin-4-ylsulfonylphenyl)-3,5-dinitro-4-[2-(phenylmethyl)benzimidazol-1-yl]benzamide

Systemtic Name: N-(4-morpholin-4-ylsulfonylphenyl)-3,5-dinitro-4-[2-(phenylmethyl)benzimidazol-1-yl]benzamide Openeye Name: 4-(2-benzylbenzimidazol-1-yl)-N-(4-morpholinosulfonylphenyl)-3,5-dinitro-benzamide CAS Name: N-[4-(4-morpholinylsulfonyl)phenyl]-3,5-dinitro-4-[2-(phenylmethyl)-1-benzimidazolyl]benzamide IUPAC Name: 4-(2-benzylbenzimidazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-3,5-dinitrobenzamide Traditional Name: 4-(2-benzylbenzimidazol-1-yl)-N-(4-morpholinosulfonylphenyl)-3,5-dinitro-benzamide Formula: C31H26N6O8S MolecularWeight: 642.63854

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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-])N4C5=CC=CC=C5N=C4CC6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])N4C5=CC=CC=C5N=C4CC6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C31H26N6O8S/c38-31(32-23-10-12-24(13-11-23)46(43,44)34-14-16-45-17-15-34)22-19-27(36(39)40)30(28(20-22)37(41)42)35-26-9-5-4-8-25(26)33-29(35)18-21-6-2-1-3-7-21/h1-13,19-20H,14-18H2,(H,32,38)