N-[6-bromanyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(3-methylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[6-bromanyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(3-methylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[(3-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[(3-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(3-methylpiperidino)sulfonyl-benzamide Formula: C23H26BrN3O4S2 MolecularWeight: 552.50424

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)Br)CCOC

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)Br)CCOC

InChI

InChI=1S/C23H26BrN3O4S2/c1-16-4-3-11-26(15-16)33(29,30)19-8-5-17(6-9-19)22(28)25-23-27(12-13-31-2)20-10-7-18(24)14-21(20)32-23/h5-10,14,16H,3-4,11-13,15H2,1-2H3