N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-[N-(p-tolylsulfonyl)anilino]propanamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(N-tosylanilino)propionamide Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NC(C)C2=CC3=C(C=C2)OCCCO3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NC(C)C2=CC3=C(C=C2)OCCCO3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O5S/c1-20-9-12-24(13-10-20)35(31,32)29(23-7-4-3-5-8-23)16-15-27(30)28-21(2)22-11-14-25-26(19-22)34-18-6-17-33-25/h3-5,7-14,19,21H,6,15-18H2,1-2H3,(H,28,30)