2-(3,4-dichlorophenyl)-2-methyl-4-[(3R)-3-methyl-4-methylsulfonyl-piperazin-1-yl]-N-(quinoxalin-6-ylmethyl)butanamide

Systemtic Name: 2-(3,4-dichlorophenyl)-2-methyl-4-[(3R)-3-methyl-4-methylsulfonyl-piperazin-1-yl]-N-(quinoxalin-6-ylmethyl)butanamide Openeye Name: 2-(3,4-dichlorophenyl)-2-methyl-4-[(3R)-3-methyl-4-methylsulfonyl-piperazin-1-yl]-N-(quinoxalin-6-ylmethyl)butanamide CAS Name: 2-(3,4-dichlorophenyl)-2-methyl-4-[(3R)-3-methyl-4-methylsulfonyl-1-piperazinyl]-N-(6-quinoxalinylmethyl)butanamide IUPAC Name: 2-(3,4-dichlorophenyl)-2-methyl-4-[(3R)-3-methyl-4-methylsulfonylpiperazin-1-yl]-N-(quinoxalin-6-ylmethyl)butanamide Traditional Name: 2-(3,4-dichlorophenyl)-4-[(3R)-4-mesyl-3-methyl-piperazino]-2-methyl-N-(quinoxalin-6-ylmethyl)butyramide Formula: C26H31Cl2N5O3S MolecularWeight: 564.52704

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C)CCC(C)(C2=CC(=C(C=C2)Cl)Cl)C(=O)NCC3=CC4=NC=CN=C4C=C3

Isomeric SMILES

C[C@@H]1CN(CCN1S(=O)(=O)C)CCC(C)(C2=CC(=C(C=C2)Cl)Cl)C(=O)NCC3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C26H31Cl2N5O3S/c1-18-17-32(12-13-33(18)37(3,35)36)11-8-26(2,20-5-6-21(27)22(28)15-20)25(34)31-16-19-4-7-23-24(14-19)30-10-9-29-23/h4-7,9-10,14-15,18H,8,11-13,16-17H2,1-3H3,(H,31,34)/t18-,26?/m1/s1