1-(azepan-1-ylsulfonyl)-N-phenethyl-piperidine-3-carboxamide

Systemtic Name: 1-(azepan-1-ylsulfonyl)-N-phenethyl-piperidine-3-carboxamide Openeye Name: 1-(azepan-1-ylsulfonyl)-N-phenethyl-piperidine-3-carboxamide CAS Name: 1-(1-azepanylsulfonyl)-N-phenethyl-3-piperidinecarboxamide IUPAC Name: 1-(azepan-1-ylsulfonyl)-N-phenethylpiperidine-3-carboxamide Traditional Name: 1-(azepan-1-ylsulfonyl)-N-phenethyl-nipecotamide Formula: C20H31N3O3S MolecularWeight: 393.54344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H31N3O3S/c24-20(21-13-12-18-9-4-3-5-10-18)19-11-8-16-23(17-19)27(25,26)22-14-6-1-2-7-15-22/h3-5,9-10,19H,1-2,6-8,11-17H2,(H,21,24)