2-ethyl-1-(4-methylphenyl)sulfonyl-4-piperazin-1-yl-indole

Systemtic Name: 2-ethyl-1-(4-methylphenyl)sulfonyl-4-piperazin-1-yl-indole Openeye Name: 2-ethyl-4-piperazin-1-yl-1-(p-tolylsulfonyl)indole CAS Name: 2-ethyl-1-(4-methylphenyl)sulfonyl-4-(1-piperazinyl)indole IUPAC Name: 2-ethyl-1-(4-methylphenyl)sulfonyl-4-piperazin-1-ylindole Traditional Name: 2-ethyl-4-piperazino-1-tosyl-indole Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N1S(=O)(=O)C3=CC=C(C=C3)C)C=CC=C2N4CCNCC4

Isomeric SMILES

CCC1=CC2=C(N1S(=O)(=O)C3=CC=C(C=C3)C)C=CC=C2N4CCNCC4

InChI

InChI=1S/C21H25N3O2S/c1-3-17-15-19-20(23-13-11-22-12-14-23)5-4-6-21(19)24(17)27(25,26)18-9-7-16(2)8-10-18/h4-10,15,22H,3,11-14H2,1-2H3