5-[[1H-indol-4-yl(phenylsulfonyl)methyl]-methyl-amino]-8-nitro-naphthalene-1-carbonitrile

Systemtic Name: 5-[[1H-indol-4-yl(phenylsulfonyl)methyl]-methyl-amino]-8-nitro-naphthalene-1-carbonitrile Openeye Name: 5-[[benzenesulfonyl(1H-indol-4-yl)methyl]-methyl-amino]-8-nitro-naphthalene-1-carbonitrile CAS Name: 5-[[benzenesulfonyl(1H-indol-4-yl)methyl]-methylamino]-8-nitro-1-naphthalenecarbonitrile IUPAC Name: 5-[[benzenesulfonyl(1H-indol-4-yl)methyl]-methylamino]-8-nitronaphthalene-1-carbonitrile Traditional Name: 5-[[besyl(1H-indol-4-yl)methyl]-methyl-amino]-8-nitro-naphthalene-1-carbonitrile Formula: C27H20N4O4S MolecularWeight: 496.5371

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C2=C(C=CC=C12)C#N)[N+](=O)[O-])C(C3=C4C=CNC4=CC=C3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CN(C1=CC=C(C2=C(C=CC=C12)C#N)[N+](=O)[O-])C(C3=C4C=CNC4=CC=C3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H20N4O4S/c1-30(24-13-14-25(31(32)33)26-18(17-28)7-5-11-22(24)26)27(36(34,35)19-8-3-2-4-9-19)21-10-6-12-23-20(21)15-16-29-23/h2-16,27,29H,1H3