N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-4-(3,4-dimethylphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-4-(3,4-dimethylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-4-(3,4-dimethylphenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-(3,4-dimethylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-4-(3,4-dimethylphenyl)sulfonyl-piperazine-1-carboxamide Formula: C23H32N4O3S MolecularWeight: 444.59018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC(C3=CC=CC=C3)N(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC[C@H](C3=CC=CC=C3)N(C)C)C

InChI

InChI=1S/C23H32N4O3S/c1-18-10-11-21(16-19(18)2)31(29,30)27-14-12-26(13-15-27)23(28)24-17-22(25(3)4)20-8-6-5-7-9-20/h5-11,16,22H,12-15,17H2,1-4H3,(H,24,28)/t22-/m1/s1