N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)pyrrolidine-2-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-(benzenesulfonyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)pyrrolidine-2-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-besyl-pyrrolidine-2-carboxamide Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H29N3O5S2/c27-23(22-11-8-18-26(22)33(30,31)20-9-4-3-5-10-20)24-19-12-14-21(15-13-19)32(28,29)25-16-6-1-2-7-17-25/h3-5,9-10,12-15,22H,1-2,6-8,11,16-18H2,(H,24,27)