(3S)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-methyl-N-[2-(1-naphthylamino)-2-oxo-ethyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-methyl-N-[2-(1-naphthalenylamino)-2-oxoethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[2-keto-2-(1-naphthylamino)ethyl]-N-methyl-1-(2-thienylsulfonyl)nipecotamide Formula: C23H25N3O4S2 MolecularWeight: 471.5923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC2=CC=CC=C21)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN(CC(=O)NC1=CC=CC2=CC=CC=C21)C(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H25N3O4S2/c1-25(16-21(27)24-20-11-4-8-17-7-2-3-10-19(17)20)23(28)18-9-5-13-26(15-18)32(29,30)22-12-6-14-31-22/h2-4,6-8,10-12,14,18H,5,9,13,15-16H2,1H3,(H,24,27)/t18-/m0/s1