[7-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]carbonyl-1-phenethyl-benzimidazol-5-yl]-methylsulfonyl-azanide

Systemtic Name: [7-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]carbonyl-1-phenethyl-benzimidazol-5-yl]-methylsulfonyl-azanide Openeye Name: [7-[(3S)-3,4-dimethylpiperazin-4-ium-1-carbonyl]-1-phenethyl-benzimidazol-5-yl]-methylsulfonyl-azanide CAS Name: [7-[[(3S)-3,4-dimethyl-1-piperazin-4-iumyl]-oxomethyl]-1-phenethyl-5-benzimidazolyl]-methylsulfonylazanide IUPAC Name: [7-[(3S)-3,4-dimethylpiperazin-4-ium-1-carbonyl]-1-phenethylbenzimidazol-5-yl]-methylsulfonylazanide Traditional Name: [7-[(3S)-3,4-dimethylpiperazin-4-ium-1-carbonyl]-1-phenethyl-benzimidazol-5-yl]-mesyl-azanide Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH+]1C)C(=O)C2=CC(=CC3=C2N(C=N3)CCC4=CC=CC=C4)[N-]S(=O)(=O)C

Isomeric SMILES

C[C@H]1CN(CC[NH+]1C)C(=O)C2=CC(=CC3=C2N(C=N3)CCC4=CC=CC=C4)[N-]S(=O)(=O)C

InChI

InChI=1S/C23H28N5O3S/c1-17-15-27(12-11-26(17)2)23(29)20-13-19(25-32(3,30)31)14-21-22(20)28(16-24-21)10-9-18-7-5-4-6-8-18/h4-8,13-14,16-17H,9-12,15H2,1-3H3/q-1/p+1/t17-/m0/s1