N-[3-methyl-4-nitro-1-(4-nitrophenyl)sulfonyl-7-phenylmethoxy-indol-5-yl]-N-prop-2-enyl-methanesulfonamide

Systemtic Name: N-[3-methyl-4-nitro-1-(4-nitrophenyl)sulfonyl-7-phenylmethoxy-indol-5-yl]-N-prop-2-enyl-methanesulfonamide Openeye Name: N-allyl-N-[7-benzyloxy-3-methyl-4-nitro-1-(4-nitrophenyl)sulfonyl-indol-5-yl]methanesulfonamide CAS Name: N-[3-methyl-4-nitro-1-(4-nitrophenyl)sulfonyl-7-phenylmethoxy-5-indolyl]-N-prop-2-enylmethanesulfonamide IUPAC Name: N-[3-methyl-4-nitro-1-(4-nitrophenyl)sulfonyl-7-phenylmethoxyindol-5-yl]-N-prop-2-enylmethanesulfonamide Traditional Name: N-allyl-N-(7-benzoxy-3-methyl-4-nitro-1-nosyl-indol-5-yl)methanesulfonamide Formula: C26H24N4O9S2 MolecularWeight: 600.62016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C(C=C(C(=C12)[N+](=O)[O-])N(CC=C)S(=O)(=O)C)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CN(C2=C(C=C(C(=C12)[N+](=O)[O-])N(CC=C)S(=O)(=O)C)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H24N4O9S2/c1-4-14-27(40(3,35)36)22-15-23(39-17-19-8-6-5-7-9-19)26-24(25(22)30(33)34)18(2)16-28(26)41(37,38)21-12-10-20(11-13-21)29(31)32/h4-13,15-16H,1,14,17H2,2-3H3