N-(phenylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(phenylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-benzyl-N-(4-isopropyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-(phenylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-benzyl-N-(4-isopropyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)nipecotamide Formula: C27H29N3O3S3 MolecularWeight: 539.73246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C27H29N3O3S3/c1-19(2)22-12-6-13-23-25(22)28-27(35-23)30(17-20-9-4-3-5-10-20)26(31)21-11-7-15-29(18-21)36(32,33)24-14-8-16-34-24/h3-6,8-10,12-14,16,19,21H,7,11,15,17-18H2,1-2H3