N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-[(2S)-2-methylpiperidino]sulfonyl-benzamide Formula: C26H25N3O3S2 MolecularWeight: 491.625

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H25N3O3S2/c1-18-6-4-5-17-29(18)34(31,32)22-15-11-19(12-16-22)25(30)27-21-13-9-20(10-14-21)26-28-23-7-2-3-8-24(23)33-26/h2-3,7-16,18H,4-6,17H2,1H3,(H,27,30)/t18-/m0/s1