(2S)-2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one

Systemtic Name: (2S)-2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one Openeye Name: (2S)-2-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: (2S)-2-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]-1-(4-ethyl-1-piperazinyl)-1-propanone IUPAC Name: (2S)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: (2S)-2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]-1-(4-ethylpiperazino)propan-1-one Formula: C22H33N5O4S2 MolecularWeight: 495.65852

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)SC2=NC3=C(N2CC)C=CC(=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCN1CCN(CC1)C(=O)[C@H](C)SC2=NC3=C(N2CC)C=CC(=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H33N5O4S2/c1-4-24-8-10-25(11-9-24)21(28)17(3)32-22-23-19-16-18(6-7-20(19)27(22)5-2)33(29,30)26-12-14-31-15-13-26/h6-7,16-17H,4-5,8-15H2,1-3H3/t17-/m0/s1