[2-(phenylmethyl)phenyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: [2-(phenylmethyl)phenyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (2-benzylphenyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid [2-(phenylmethyl)phenyl] ester IUPAC Name: (2-benzylphenyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid (2-benzylphenyl) ester Formula: C28H29NO4S MolecularWeight: 475.59916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OC3=CC=CC=C3CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OC3=CC=CC=C3CC4=CC=CC=C4

InChI

InChI=1S/C28H29NO4S/c30-28(33-27-13-7-6-12-25(27)22-24-10-4-3-5-11-24)19-16-23-14-17-26(18-15-23)34(31,32)29-20-8-1-2-9-21-29/h3-7,10-19H,1-2,8-9,20-22H2