4-piperazin-1-yl-1-(2,4,6-trimethylphenyl)sulfonyl-indole

Systemtic Name: 4-piperazin-1-yl-1-(2,4,6-trimethylphenyl)sulfonyl-indole Openeye Name: 4-piperazin-1-yl-1-(2,4,6-trimethylphenyl)sulfonyl-indole CAS Name: 4-(1-piperazinyl)-1-(2,4,6-trimethylphenyl)sulfonylindole IUPAC Name: 4-piperazin-1-yl-1-(2,4,6-trimethylphenyl)sulfonylindole Traditional Name: 1-mesitylsulfonyl-4-piperazino-indole Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C=CC3=C2C=CC=C3N4CCNCC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C=CC3=C2C=CC=C3N4CCNCC4)C

InChI

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