3-methyl-8-[4-(phenylmethyl)sulfonylpiperazin-1-yl]sulfonyl-quinoline

Systemtic Name: 3-methyl-8-[4-(phenylmethyl)sulfonylpiperazin-1-yl]sulfonyl-quinoline Openeye Name: 8-(4-benzylsulfonylpiperazin-1-yl)sulfonyl-3-methyl-quinoline CAS Name: 3-methyl-8-[[4-(phenylmethyl)sulfonyl-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 8-(4-benzylsulfonylpiperazin-1-yl)sulfonyl-3-methylquinoline Traditional Name: 8-(4-benzylsulfonylpiperazino)sulfonyl-3-methyl-quinoline Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O4S2/c1-17-14-19-8-5-9-20(21(19)22-15-17)30(27,28)24-12-10-23(11-13-24)29(25,26)16-18-6-3-2-4-7-18/h2-9,14-15H,10-13,16H2,1H3