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

Systemtic Name: N-[2-(1H-indol-3-yl)ethyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[2-(1H-indol-3-yl)ethyl]-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[2-(1H-indol-3-yl)ethyl]-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: 2-(1H-indol-3-yl)ethyl-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CNC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CNC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S/c26-25(27)21-14-17(30(28,29)24-12-4-1-5-13-24)8-9-20(21)22-11-10-16-15-23-19-7-3-2-6-18(16)19/h2-3,6-9,14-15,22-23H,1,4-5,10-13H2