[2-(2-azanylethylamino)-5-(3-oxidanylpropylsulfonyl)-4-[(phenylmethyl)amino]phenyl]-piperazin-1-yl-methanone

Systemtic Name: [2-(2-azanylethylamino)-5-(3-oxidanylpropylsulfonyl)-4-[(phenylmethyl)amino]phenyl]-piperazin-1-yl-methanone Openeye Name: [2-(2-aminoethylamino)-4-(benzylamino)-5-(3-hydroxypropylsulfonyl)phenyl]-piperazin-1-yl-methanone CAS Name: [2-(2-aminoethylamino)-5-(3-hydroxypropylsulfonyl)-4-[(phenylmethyl)amino]phenyl]-(1-piperazinyl)methanone IUPAC Name: [2-(2-aminoethylamino)-4-(benzylamino)-5-(3-hydroxypropylsulfonyl)phenyl]-piperazin-1-ylmethanone Traditional Name: [2-(2-aminoethylamino)-4-(benzylamino)-5-(3-hydroxypropylsulfonyl)phenyl]-piperazino-methanone Formula: C23H33N5O4S MolecularWeight: 475.60422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC(=C(C=C2NCCN)NCC3=CC=CC=C3)S(=O)(=O)CCCO

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC(=C(C=C2NCCN)NCC3=CC=CC=C3)S(=O)(=O)CCCO

InChI

InChI=1S/C23H33N5O4S/c24-7-8-26-20-16-21(27-17-18-5-2-1-3-6-18)22(33(31,32)14-4-13-29)15-19(20)23(30)28-11-9-25-10-12-28/h1-3,5-6,15-16,25-27,29H,4,7-14,17,24H2