N-[3-(azepan-1-ylsulfonyl)phenyl]-1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-1-cyclopropyl-2,5-dimethyl-3-pyrrolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H29N3O3S/c1-16-14-21(17(2)25(16)19-10-11-19)22(26)23-18-8-7-9-20(15-18)29(27,28)24-12-5-3-4-6-13-24/h7-9,14-15,19H,3-6,10-13H2,1-2H3,(H,23,26)