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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=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]1CCCCN1S(=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/c1-18-7-5-6-14-29(18)35(31,32)21-11-8-19(9-12-21)24(30)28(16-15-27(2)3)25-26-22-17-20(33-4)10-13-23(22)34-25/h8-13,17-18H,5-7,14-16H2,1-4H3/p+1/t18-/m1/s1