(3S)-N-[2-(1H-indol-5-ylamino)-2-oxidanylidene-ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[2-(1H-indol-5-ylamino)-2-oxidanylidene-ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(benzenesulfonyl)-N-[2-(1H-indol-5-ylamino)-2-oxo-ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(benzenesulfonyl)-N-[2-(1H-indol-5-ylamino)-2-oxoethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(benzenesulfonyl)-N-[2-(1H-indol-5-ylamino)-2-oxoethyl]piperidine-3-carboxamide Traditional Name: (3S)-1-besyl-N-[2-(1H-indol-5-ylamino)-2-keto-ethyl]nipecotamide Formula: C22H24N4O4S MolecularWeight: 440.51536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCC(=O)NC3=CC4=C(C=C3)NC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCC(=O)NC3=CC4=C(C=C3)NC=C4

InChI

InChI=1S/C22H24N4O4S/c27-21(25-18-8-9-20-16(13-18)10-11-23-20)14-24-22(28)17-5-4-12-26(15-17)31(29,30)19-6-2-1-3-7-19/h1-3,6-11,13,17,23H,4-5,12,14-15H2,(H,24,28)(H,25,27)/t17-/m0/s1