N-[3-[3-[2-(2-chlorophenyl)ethanoyl]-7-nitro-indol-1-yl]propyl]methanesulfonamide

Systemtic Name: N-[3-[3-[2-(2-chlorophenyl)ethanoyl]-7-nitro-indol-1-yl]propyl]methanesulfonamide Openeye Name: N-[3-[3-[2-(2-chlorophenyl)acetyl]-7-nitro-indol-1-yl]propyl]methanesulfonamide CAS Name: N-[3-[3-[2-(2-chlorophenyl)-1-oxoethyl]-7-nitro-1-indolyl]propyl]methanesulfonamide IUPAC Name: N-[3-[3-[2-(2-chlorophenyl)acetyl]-7-nitroindol-1-yl]propyl]methanesulfonamide Traditional Name: N-[3-[3-[2-(2-chlorophenyl)acetyl]-7-nitro-indol-1-yl]propyl]methanesulfonamide Formula: C20H20ClN3O5S MolecularWeight: 449.9079

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCCN1C=C(C2=C1C(=CC=C2)[N+](=O)[O-])C(=O)CC3=CC=CC=C3Cl

Isomeric SMILES

CS(=O)(=O)NCCCN1C=C(C2=C1C(=CC=C2)[N+](=O)[O-])C(=O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H20ClN3O5S/c1-30(28,29)22-10-5-11-23-13-16(15-7-4-9-18(20(15)23)24(26)27)19(25)12-14-6-2-3-8-17(14)21/h2-4,6-9,13,22H,5,10-12H2,1H3