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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-methyl-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methyl-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-methyl-3-piperidinosulfonyl-benzamide Formula: C28H29N3O3S3 MolecularWeight: 551.74316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C4=NC5=CC=CC=C5S4)S(=O)(=O)N6CCCCC6

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C4=NC5=CC=CC=C5S4)S(=O)(=O)N6CCCCC6

InChI

InChI=1S/C28H29N3O3S3/c1-18-13-14-19(17-24(18)37(33,34)31-15-7-2-8-16-31)26(32)30-28-25(20-9-3-5-11-22(20)35-28)27-29-21-10-4-6-12-23(21)36-27/h4,6,10,12-14,17H,2-3,5,7-9,11,15-16H2,1H3,(H,30,32)