[2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-[4-(phenylmethyl)piperidin-1-yl]phenyl]-piperidin-1-yl-methanone

Systemtic Name: [2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-[4-(phenylmethyl)piperidin-1-yl]phenyl]-piperidin-1-yl-methanone Openeye Name: [4-(4-benzyl-1-piperidyl)-2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-phenyl]-(1-piperidyl)methanone CAS Name: [2-(4-methyl-1-piperazinyl)-5-methylsulfonyl-4-[4-(phenylmethyl)-1-piperidinyl]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-(4-benzylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)-5-methylsulfonylphenyl]-piperidin-1-ylmethanone Traditional Name: [4-(4-benzylpiperidino)-5-mesyl-2-(4-methylpiperazino)phenyl]-piperidino-methanone Formula: C30H42N4O3S MolecularWeight: 538.74448

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=C(C=C2C(=O)N3CCCCC3)S(=O)(=O)C)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C(C=C2C(=O)N3CCCCC3)S(=O)(=O)C)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H42N4O3S/c1-31-17-19-33(20-18-31)27-23-28(32-15-11-25(12-16-32)21-24-9-5-3-6-10-24)29(38(2,36)37)22-26(27)30(35)34-13-7-4-8-14-34/h3,5-6,9-10,22-23,25H,4,7-8,11-21H2,1-2H3