2-[(5-methoxy-1,3-benzothiazol-2-yl)-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5-methoxy-1,3-benzothiazol-2-yl)-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5-methoxy-1,3-benzothiazol-2-yl)-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(5-methoxy-1,3-benzothiazol-2-yl)-[[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(5-methoxy-1,3-benzothiazol-2-yl)-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(5-methoxy-1,3-benzothiazol-2-yl)-[4-[(3S)-3-methylpiperidino]sulfonylbenzoyl]amino]ethyl-dimethyl-ammonium Formula: C25H33N4O4S2+ MolecularWeight: 517.68392

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CC[NH+](C)C)C3=NC4=C(S3)C=CC(=C4)OC

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CC[NH+](C)C)C3=NC4=C(S3)C=CC(=C4)OC

InChI

InChI=1S/C25H32N4O4S2/c1-18-6-5-13-28(17-18)35(31,32)21-10-7-19(8-11-21)24(30)29(15-14-27(2)3)25-26-22-16-20(33-4)9-12-23(22)34-25/h7-12,16,18H,5-6,13-15,17H2,1-4H3/p+1/t18-/m0/s1