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

Systemtic Name: N-(6-bromanyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(3-methylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-[(3-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-[(3-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-(3-methylpiperidino)sulfonyl-benzamide Formula: C21H22BrN3O3S2 MolecularWeight: 508.45168

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O3S2/c1-14-4-3-11-25(13-14)30(27,28)17-8-5-15(6-9-17)20(26)23-21-24(2)18-10-7-16(22)12-19(18)29-21/h5-10,12,14H,3-4,11,13H2,1-2H3