N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-piperidinosulfonyl-benzamide Formula: C27H27N3O3S3 MolecularWeight: 537.71658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C27H27N3O3S3/c31-25(18-12-14-19(15-13-18)36(32,33)30-16-6-1-7-17-30)29-27-24(20-8-2-4-10-22(20)34-27)26-28-21-9-3-5-11-23(21)35-26/h3,5,9,11-15H,1-2,4,6-8,10,16-17H2,(H,29,31)