N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(phenylcarbamoylamino)propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(phenylcarbamoylamino)propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(phenylcarbamoylamino)propanamide CAS Name: 3-[[anilino(oxo)methyl]amino]-N-[4-(1-azepanylsulfonyl)phenyl]propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(phenylcarbamoylamino)propanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(phenylcarbamoylamino)propionamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O4S/c27-21(14-15-23-22(28)25-18-8-4-3-5-9-18)24-19-10-12-20(13-11-19)31(29,30)26-16-6-1-2-7-17-26/h3-5,8-13H,1-2,6-7,14-17H2,(H,24,27)(H2,23,25,28)