N-[3-(4-tert-butylphenyl)carbonylphenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[3-(4-tert-butylphenyl)carbonylphenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[3-(4-tert-butylbenzoyl)phenyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[3-[(4-tert-butylphenyl)-oxomethyl]phenyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[3-(4-tert-butylbenzoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[3-(4-tert-butylbenzoyl)phenyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C27H30N2O4S2 MolecularWeight: 510.6681

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C27H30N2O4S2/c1-27(2,3)22-13-11-19(12-14-22)25(30)20-7-4-9-23(17-20)28-26(31)21-8-5-15-29(18-21)35(32,33)24-10-6-16-34-24/h4,6-7,9-14,16-17,21H,5,8,15,18H2,1-3H3,(H,28,31)