N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)propanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-chloro-N-mesyl-4-methoxy-anilino)propionamide Formula: C23H30ClN3O6S2 MolecularWeight: 544.0838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)N(C3=CC(=C(C=C3)OC)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)N(C3=CC(=C(C=C3)OC)Cl)S(=O)(=O)C

InChI

InChI=1S/C23H30ClN3O6S2/c1-17(27(34(3,29)30)19-10-13-22(33-2)21(24)16-19)23(28)25-18-8-11-20(12-9-18)35(31,32)26-14-6-4-5-7-15-26/h8-13,16-17H,4-7,14-15H2,1-3H3,(H,25,28)