[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone CAS Name: [3-(1-azepanylsulfonyl)-4-methoxyphenyl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCOC3=CC=CC=C32)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCOC3=CC=CC=C32)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H26N2O5S/c1-28-20-11-10-17(16-21(20)30(26,27)23-12-6-2-3-7-13-23)22(25)24-14-15-29-19-9-5-4-8-18(19)24/h4-5,8-11,16H,2-3,6-7,12-15H2,1H3