1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine

Systemtic Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine Openeye Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-(4-pyridylmethyl)piperazine CAS Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine IUPAC Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine Traditional Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-(4-pyridylmethyl)piperazine Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2)CC3=CC=NC=C3)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2)CC3=CC=NC=C3)C)C

InChI

InChI=1S/C21H29N3O2S/c1-15-16(2)18(4)21(19(5)17(15)3)27(25,26)24-12-10-23(11-13-24)14-20-6-8-22-9-7-20/h6-9H,10-14H2,1-5H3