N-[2-(azepan-1-ylsulfonyl)ethyl]-3-methoxy-N-(pyridin-4-ylmethyl)benzamide; ethanedioic acid

Systemtic Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-3-methoxy-N-(pyridin-4-ylmethyl)benzamide; ethanedioic acid Openeye Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-3-methoxy-N-(4-pyridylmethyl)benzamide; oxalic acid CAS Name: N-[2-(1-azepanylsulfonyl)ethyl]-3-methoxy-N-(pyridin-4-ylmethyl)benzamide; oxalic acid IUPAC Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-3-methoxy-N-(pyridin-4-ylmethyl)benzamide; oxalic acid Traditional Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-3-methoxy-N-(4-pyridylmethyl)benzamide; oxalic acid Formula: C24H31N3O8S MolecularWeight: 521.58324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N(CCS(=O)(=O)N2CCCCCC2)CC3=CC=NC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N(CCS(=O)(=O)N2CCCCCC2)CC3=CC=NC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H29N3O4S.C2H2O4/c1-29-21-8-6-7-20(17-21)22(26)24(18-19-9-11-23-12-10-19)15-16-30(27,28)25-13-4-2-3-5-14-25;3-1(4)2(5)6/h6-12,17H,2-5,13-16,18H2,1H3;(H,3,4)(H,5,6)