2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-N-(2-phenoxyethyl)ethanamide

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-N-(2-phenoxyethyl)ethanamide Openeye Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-N-(2-phenoxyethyl)acetamide CAS Name: 2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-N-(2-phenoxyethyl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-(2-phenoxyethyl)acetamide Traditional Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-N-(2-phenoxyethyl)acetamide Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC(=O)NCCOC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC(=O)NCCOC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O5S/c1-30-22-12-11-20(32(28,29)26-14-7-2-3-8-15-26)17-21(22)25-18-23(27)24-13-16-31-19-9-5-4-6-10-19/h4-6,9-12,17,25H,2-3,7-8,13-16,18H2,1H3,(H,24,27)