[4-(azepan-1-ylsulfonyl)phenyl]-[2-(phenylmethyl)pyrrolidin-1-yl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-[2-(phenylmethyl)pyrrolidin-1-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-(2-benzylpyrrolidin-1-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[2-(phenylmethyl)-1-pyrrolidinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-(2-benzylpyrrolidin-1-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-(2-benzylpyrrolidino)methanone Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCC3CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCC3CC4=CC=CC=C4

InChI

InChI=1S/C24H30N2O3S/c27-24(26-18-8-11-22(26)19-20-9-4-3-5-10-20)21-12-14-23(15-13-21)30(28,29)25-16-6-1-2-7-17-25/h3-5,9-10,12-15,22H,1-2,6-8,11,16-19H2