N-[2-(1H-indol-3-yl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[2-(1H-indol-3-yl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[2-(1H-indol-3-yl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[2-(1H-indol-3-yl)ethyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: 2-(1H-indol-3-yl)ethyl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CNC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CNC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c25-24(26)20-13-16(29(27,28)23-11-3-4-12-23)7-8-19(20)21-10-9-15-14-22-18-6-2-1-5-17(15)18/h1-2,5-8,13-14,21-22H,3-4,9-12H2