5-methylsulfonyl-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: 5-methylsulfonyl-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 5-methylsulfonyl-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 5-methylsulfonyl-N-[1-[4-(1-pyrrolidinyl)phenyl]ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 5-methylsulfonyl-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 5-mesyl-N-[1-(4-pyrrolidinophenyl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2CCCC2)NC(=O)C3CCN(C4=CC=CC=C4O3)S(=O)(=O)C

Isomeric SMILES

CC(C1=CC=C(C=C1)N2CCCC2)NC(=O)C3CCN(C4=CC=CC=C4O3)S(=O)(=O)C

InChI

InChI=1S/C23H29N3O4S/c1-17(18-9-11-19(12-10-18)25-14-5-6-15-25)24-23(27)22-13-16-26(31(2,28)29)20-7-3-4-8-21(20)30-22/h3-4,7-12,17,22H,5-6,13-16H2,1-2H3,(H,24,27)