3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2S)-2-phenylpyrrolidin-1-yl]propan-1-one

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2S)-2-phenylpyrrolidin-1-yl]propan-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2S)-2-phenylpyrrolidin-1-yl]propan-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-1-[(2S)-2-phenyl-1-pyrrolidinyl]-1-propanone IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2S)-2-phenylpyrrolidin-1-yl]propan-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2S)-2-phenylpyrrolidino]propan-1-one Formula: C25H32N2O3S MolecularWeight: 440.59818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCCC3C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCC[C@H]3C4=CC=CC=C4

InChI

InChI=1S/C25H32N2O3S/c28-25(27-20-8-11-24(27)22-9-4-3-5-10-22)17-14-21-12-15-23(16-13-21)31(29,30)26-18-6-1-2-7-19-26/h3-5,9-10,12-13,15-16,24H,1-2,6-8,11,14,17-20H2/t24-/m0/s1