N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[2-(5-methoxy-1H-indol-3-yl)ethyl]amine Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5S/c1-26-13-3-5-16-15(9-13)12(11-20-16)7-8-19-17-6-4-14(27(2,24)25)10-18(17)21(22)23/h3-6,9-11,19-20H,7-8H2,1-2H3