N-[4-(azepan-1-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-3-(p-tolylsulfonylamino)propanamide CAS Name: N-[4-(1-azepanyl)phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-3-(tosylamino)propionamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C22H29N3O3S/c1-18-6-12-21(13-7-18)29(27,28)23-15-14-22(26)24-19-8-10-20(11-9-19)25-16-4-2-3-5-17-25/h6-13,23H,2-5,14-17H2,1H3,(H,24,26)