2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H27N3O5S/c1-16(23-18-7-10-20-21(15-18)30-14-4-13-29-20)22(26)24-17-5-8-19(9-6-17)31(27,28)25-11-2-3-12-25/h5-10,15-16,23H,2-4,11-14H2,1H3,(H,24,26)